2H-pyran-2-yl prop-2-enoate

C8H8O3 — CID 22619304

IUPAC2H-pyran-2-yl prop-2-enoate
SMILESC=CC(=O)OC1C=CC=CO1
InChIInChI=1S/C8H8O3/c1-2-7(9)11-8-5-3-4-6-10-8/h2-6,8H,1H2
InChIKeyPLSUDLGSGUYQLV-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.14
Rot. Bonds2

About 2H-pyran-2-yl prop-2-enoate

2H-pyran-2-yl prop-2-enoate (PubChem CID 22619304) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2H-pyran-2-yl prop-2-enoate.

Molecular Properties

Compound Name2H-pyran-2-yl prop-2-enoate
PubChem CID22619304
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2H-pyran-2-yl prop-2-enoate
SMILESC=CC(=O)OC1C=CC=CO1
InChIInChI=1S/C8H8O3/c1-2-7(9)11-8-5-3-4-6-10-8/h2-6,8H,1H2
InChIKeyPLSUDLGSGUYQLV-UHFFFAOYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2-yl prop-2-enoate?
The IUPAC name of 2H-pyran-2-yl prop-2-enoate (CID 22619304) is 2H-pyran-2-yl prop-2-enoate.
What is the SMILES notation for 2H-pyran-2-yl prop-2-enoate?
The canonical SMILES for 2H-pyran-2-yl prop-2-enoate is C=CC(=O)OC1C=CC=CO1.
What is the InChIKey of 2H-pyran-2-yl prop-2-enoate?
The InChIKey is PLSUDLGSGUYQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-2-7(9)11-8-5-3-4-6-10-8/h2-6,8H,1H2.
What are the key properties of 2H-pyran-2-yl prop-2-enoate?
2H-pyran-2-yl prop-2-enoate has a molecular weight of 152.15 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-2-yl prop-2-enoate is sourced from PubChem (CID 22619304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).